3253-4786 Screening compound: (E)-N-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}-1-(3-nitrophenyl)methanimine

3253-4786 Screening compound: (E)-N-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}-1-(3-nitrophenyl)methanimine
3253-4786 Screening compound: (E)-N-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}-1-(3-nitrophenyl)methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3253-4786
(E)-N-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}-1-(3-nitrophenyl)methanimine

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

3253-4786

Molecular Formula

C18H19ClN4O2 (C18 H19 ClN4 O2)

Compound Name

(E)-N-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}-1-(3-nitrophenyl)methanimine

IUPAC name

(E)-N-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}-1-(3-nitrophenyl)methanimine

SMILES

[O-][N+](c1cccc(/C=N/N2CCN(Cc(cc3)ccc3Cl)CC2)c1)=O

InChI

InChI=1S/C18H19ClN4O2/c19-17-6-4-15(5-7-17)14-21-8-10-22(11-9-21)20-13-16-2-1-3-18(12-16)23(24)25/h1-7,12-13H,8-11,14H2

InChI Key

QTADTPSSBBVBQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01914463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.83

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.657

Distribution Coefficient, logD

3.586

Water Solubility, LogSw

-4.13

Polar Surface Area

50.228

Acid Dissociation Constant (pKa)

24.15

Base Dissociation Constant (pKb)

6.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

3253-4786 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3253-4786 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3253-4786?
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What is the minimum amount of 3253-4786 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3253-4786
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3253-4786
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 3253-4786 available by request